1-[decyl(methoxy)phosphoryl]oxydecane

C21H45O3P — CID 174626328

IUPAC1-[decyl(methoxy)phosphoryl]oxydecane
SMILESCCCCCCCCCCOP(=O)(CCCCCCCCCC)OC
InChIInChI=1S/C21H45O3P/c1-4-6-8-10-12-14-16-18-20-24-25(22,23-3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyYPXQKOCYUUCXDY-UHFFFAOYSA-N
MW376.56 g/mol
LogP8.12
Rot. Bonds20

About 1-[decyl(methoxy)phosphoryl]oxydecane

1-[decyl(methoxy)phosphoryl]oxydecane (PubChem CID 174626328) has the molecular formula C21H45O3P and a molecular weight of 376.56 g/mol. Its IUPAC name is 1-[decyl(methoxy)phosphoryl]oxydecane.

Molecular Properties

Compound Name1-[decyl(methoxy)phosphoryl]oxydecane
PubChem CID174626328
Molecular FormulaC21H45O3P
Molecular Weight376.56 g/mol
Exact Mass376.31
IUPAC Name1-[decyl(methoxy)phosphoryl]oxydecane
SMILESCCCCCCCCCCOP(=O)(CCCCCCCCCC)OC
InChIInChI=1S/C21H45O3P/c1-4-6-8-10-12-14-16-18-20-24-25(22,23-3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyYPXQKOCYUUCXDY-UHFFFAOYSA-N
XLogP8.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
[octadecyl(pentadecoxy)phosphoryl] hypofluorite
CID 154926633
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233

Frequently Asked Questions

What is the IUPAC name of 1-[decyl(methoxy)phosphoryl]oxydecane?
The IUPAC name of 1-[decyl(methoxy)phosphoryl]oxydecane (CID 174626328) is 1-[decyl(methoxy)phosphoryl]oxydecane.
What is the SMILES notation for 1-[decyl(methoxy)phosphoryl]oxydecane?
The canonical SMILES for 1-[decyl(methoxy)phosphoryl]oxydecane is CCCCCCCCCCOP(=O)(CCCCCCCCCC)OC.
What is the InChIKey of 1-[decyl(methoxy)phosphoryl]oxydecane?
The InChIKey is YPXQKOCYUUCXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45O3P/c1-4-6-8-10-12-14-16-18-20-24-25(22,23-3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3.
What are the key properties of 1-[decyl(methoxy)phosphoryl]oxydecane?
1-[decyl(methoxy)phosphoryl]oxydecane has a molecular weight of 376.56 g/mol, XLogP of 8.12, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[decyl(methoxy)phosphoryl]oxydecane is sourced from PubChem (CID 174626328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).